N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine

C15H29NO — CID 82932929

IUPACN-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(C2CCCC2)CCOCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)16-12-15(8-10-17-11-9-15)13-6-4-5-7-13/h13,16H,4-12H2,1-3H3
InChIKeyVHGMGFAEFWAONX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine

N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 82932929) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID82932929
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(C2CCCC2)CCOCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)16-12-15(8-10-17-11-9-15)13-6-4-5-7-13/h13,16H,4-12H2,1-3H3
InChIKeyVHGMGFAEFWAONX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine (CID 82932929) is N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(C2CCCC2)CCOCC1.
What is the InChIKey of N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is VHGMGFAEFWAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)16-12-15(8-10-17-11-9-15)13-6-4-5-7-13/h13,16H,4-12H2,1-3H3.
What are the key properties of N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine?
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82932929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).